共查询到20条相似文献,搜索用时 328 毫秒
1.
2.
《Angewandte Chemie (International ed. in English)》2015,54(35):10066-10067
3.
4.
5.
6.
7.
8.
9.
10.
11.
12.
13.
14.
15.
16.
17.
18.
19.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(11):937-940
Adiponitrile, C6H8N2, is a key intermediate in the synthesis of the polyamide Nylon 66 and is produced industrially on a large scale. We have determined the crystal and molecular structure of adiponitrile by single‐crystal X‐ray analysis at 100 K, a suitable crystal (m.p. 275 K) having been grown from the melt at low temperature. The compound crystallizes in the monoclinic space group P 21/c with Z = 2. In the crystal structure, the molecule adopts an exact Ci‐symmetric gauche –anti –gauche conformation of the C—C—C—C skeleton about an inversion centre. The molecules are densely packed, with short intermolecular contacts between the α‐H and nitrile N atoms. 相似文献
20.
Anna Michta Elbieta Chemecka Maria Nowak Joachim Kusz 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(8):o411-o413
The title compound, C8H9NS, has four symmetry‐independent molecules in the asymmetric unit. These molecules link into two independent infinite N—H...S hydrogen‐bonded chains in the a‐axis direction with graph‐set notation C22(8). The NH—CS group adopts a trans conformation and forms a dihedral angle of about 50° with the phenyl ring. The intermolecular hydrogen‐bond energy calculated by the density functional theory (DFT) method is −14.95 kJ mol−1. The correlation between the IR spectrum of this compound and the hydrogen‐bond energy is also discussed. This molecular system is of interest because of its biological function. 相似文献